1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one

C15H26N2O2 — CID 653818

IUPAC1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
SMILESCCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2
InChIInChI=1S/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3
InChIKeyDQCRHTDYSUGGMD-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.89
Rot. Bonds2

About 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one

1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one (PubChem CID 653818) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
PubChem CID653818
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
SMILESCCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2
InChIInChI=1S/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3
InChIKeyDQCRHTDYSUGGMD-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The IUPAC name of 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one (CID 653818) is 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The canonical SMILES for 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one is CCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2.
What is the InChIKey of 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The InChIKey is DQCRHTDYSUGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3.
What are the key properties of 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 653818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).